CAS No.470-67-7,1,4-Cineole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	470-67-7
Name:	1,4-Cineole
Article Data:	17

Formula:	C₁₀H₁₈O
Molecular Weight:	154.252
Synonyms:	7-Oxabicyclo[2.2.1]heptane,1-isopropyl-4-methyl- (6CI);p-Menthane, 1,4-epoxy- (7CI,8CI);7-Oxabicyclo[2.2.1]heptane,1-methyl-4-(1-methylethyl)-;Isocineole;1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane;1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane;
EINECS:	207-428-9
Density:	0.977 g/cm³
Melting Point:	-46 °C(lit.)
Boiling Point:	173.499 °C at 760 mmHg
Flash Point:	50.656 °C
Solubility:	Insoluble in water, soluble in ethanol
Appearance:	Colorless liquid
Hazard Symbols:	R10:;
Risk Codes:	10
Safety:	16
Transport Information:	UN 1993 3/PG 3
PSA:	9.23000
LogP:	2.74410

Raw Materials

7664-38-2

144-62-7

78-79-5

470-82-6

115-95-7

565-48-0

64-18-6

562-74-3

Downstream Products

562-74-3

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Consensus Reports

ISOCINEOLE's reported in EPA TSCA Inventory.

Specification

The 1,4-Cineole, with the CAS registry number 470-67-7, is also known as 1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane. It belongs to the product category of Miscellaneous Natural Products. Its EINECS number is 207-428-9. This chemical's molecular formula is C₁₀H₁₈O and molecular weight is 154.25. What's more, its systematic name is 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane. It is flammable, so you should keep it away from sources of ignition - No smoking. This chemical should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides. It is listed as allowed flavorant according to GB/T (14156-93).

Physical properties of 1,4-Cineole are: (1)ACD/LogP: 2.496; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.50; (4)ACD/LogD (pH 7.4): 2.50; (5)ACD/BCF (pH 5.5): 46.47; (6)ACD/BCF (pH 7.4): 46.47; (7)ACD/KOC (pH 5.5): 543.18; (8)ACD/KOC (pH 7.4): 543.18; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 45.703 cm³; (15)Molar Volume: 157.874 cm³; (16)Polarizability: 18.118×10^-24cm³; (17)Surface Tension: 34.40 dyne/cm; (18)Density: 0.977 g/cm³; (19)Flash Point: 50.656 °C; (20)Enthalpy of Vaporization: 39.302 kJ/mol; (21)Boiling Point: 173.499 °C at 760 mmHg; (22)Vapour Pressure: 1.69 mmHg at 25°C.

Uses of 1,4-Cineole: it can be used to produce p-menth-1-en-4-ol at the temperature of 60 °C. It will need reagents BuLi, t-BuOK and solvent hexane with the reaction time of 40 hours. The yield is about 50%.

1,4-Cineole can be used to produce p-menth-1-en-4-ol at the temperature of 60 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O1C2(CCC1(C(C)C)CC2)C
(2)Std. InChI: InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
(3)Std. InChIKey: RFFOTVCVTJUTAD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 26, Pg. 291, 1988.
rat	LD50	oral	3100mg/kg (3100mg/kg)		Food and Chemical Toxicology. Vol. 26, Pg. 291, 1988.